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W273104

Sigma-Aldrich

4-Methyl-2-pentanone

≥99%, FCC

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Synonym(s):
Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone
Linear Formula:
(CH3)2CHCH2COCH3
CAS Number:
108-10-1
Molecular Weight:
100.16
FEMA Number:
2731
Beilstein:
605399
EC Number:
203-550-1
Council of Europe no.:
151
MDL number:
MFCD00008938
PubChem Substance ID:
24901295
Flavis number:
7.017
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

Kosher

Agency

meets purity specifications of JECFA

reg. compliance

FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

3.5 (vs air)

Assay

≥99%

form

liquid

autoignition temp.

840 °F

expl. lim.

1.2-8 %, 93 °F

refractive index

n20/D 1.395 (lit.)

bp

117-118 °C

mp

−80 °C (lit.)

density

0.801 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

ethereal; fruity; spicy

SMILES string

CC(C)CC(C)=O

InChI

1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

InChI key

NTIZESTWPVYFNL-UHFFFAOYSA-N

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General description

4-Methyl-2-pentanone has been identified in the volatile fraction of lemon essence, Italian chestnut and crabmeat.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Carc. 2 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

57.2 °F - closed cup

Flash Point(C)

14 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Analysis of crabmeat volatile compounds.
Matiella JE & Hsieh TCY.
Journal of Food Science, 55(4), 962-966 (1990)
Volatile compound analysis of SPME headspace and extract samples from roasted Italian chestnuts (Castanea sativa Mill.) using GC-MS.
Krist S, et al.
Food Sci. Technol., 219(5), 470-473 (2004)
Analysis of flavor constituents from lemon and lime essence.
Moshonas MG and Shaw PE.
Journal of Agricultural and Food Chemistry, 20(5), 1029-1030 (1972)
H J Shim et al.
Journal of chromatography. B, Biomedical applications, 656(2), 407-414 (1994-06-17)
A high-performance liquid chromatographic method was developed for the simultaneous determination of a new anthracycline, DA-125 (I), and its metabolites (M1, M2, M3, and M4) in rat plasma and urine using fluorescein as an internal standard. Compound I, a prodrug
Ginette Truchon et al.
Journal of occupational and environmental hygiene, 3(3), 137-143 (2006-02-09)
Compartmental and physiologically based toxicokinetic modeling coupled with Monte Carlo simulation were used to quantify the impact of biological variability (physiological, biochemical, and anatomic parameters) on the values of a series of bio-indicators of metal and organic industrial chemical exposures.
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